CID 643447

Cyclopropylacetonitrile

Structural Information

Molecular Formula
C5H7N
SMILES
C1CC1CC#N
InChI
InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2
InChIKey
FAUQRRGKJKMEIW-UHFFFAOYSA-N
Compound name
2-cyclopropylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1020
Patents

81.057846 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 116.7
[M+Na]+ 104.04706 128.9
[M+NH4]+ 99.091669 123.3
[M+K]+ 120.02100 121.6
[M-H]- 80.050570 117.7
[M+Na-2H]- 102.03251 123.1
[M]+ 81.057297 118.9
[M]- 81.058395 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe